SCHEMBL4293802

SCHEMBL4293802

COc1ccc(C(=O)Cc2ccccc2)cc1[N+](=O)[O-]

nearest known ligand 0.65

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.65
RAB9A P51151 2/20 0.65
ALDH1A1 P00352 9/20 0.62
CYP3A4 P08684 1/20 0.62
TSHR P16473 1/20 0.62
TDP1 Q9NUW8 1/20 0.62
KMT2A Q03164 6/20 0.58
MEN1 O00255 5/20 0.58
MAPT P10636 2/20 0.58
SMN1; SMN2 Q16637 4/20 0.57
LMNA P02545 2/20 0.54
ABCB1 P08183 1/20 0.51
POLB P06746 1/20 0.50
HTT P42858 1/20 0.50

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL20521709 0.87 ALDH1A1 (0.56) NPC1RAB9AALDH1A1CYP3A4TSHR
SCHEMBL7048078 0.85 TTR (0.52) NPC1RAB9AALDH1A1CYP3A4TSHR
SCHEMBL6813421 0.82 ALDH1A1 (0.69) NPC1RAB9AALDH1A1CYP3A4TSHR
SCHEMBL28466010 0.82 ALDH1A1 (0.60) NPC1RAB9AALDH1A1CYP3A4TSHR
SCHEMBL13785071 0.82 ALDH1A1 (0.60) NPC1RAB9AALDH1A1CYP3A4TSHR
SCHEMBL1515747 0.82 NPC1 (0.63) NPC1RAB9AALDH1A1CYP3A4TSHR
SCHEMBL5189041 0.81 ALDH1A1 (0.57) NPC1RAB9AALDH1A1CYP3A4TSHR
SCHEMBL4293910 0.81 L3MBTL1 (0.47) NPC1RAB9AALDH1A1TSHRKMT2A
SCHEMBL4340908 0.81 ALDH1A1 (0.59) NPC1RAB9AALDH1A1CYP3A4TSHR
SCHEMBL4138159 0.81 ALDH1A1 (0.59) NPC1RAB9AALDH1A1CYP3A4TSHR

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9688637-B2 3-amidobenzamides and uses thereof for increasing cellular levels of A3G and other A3 family members NORTHWESTERN UNIVERSTIY (US) 2017-06-27 US disclosed
US-20090253687-A1 Fused Heterocyclic Compounds and Their Use as Mineralocorticoid Receptor Ligands TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-10-08 US disclosed
US-20090253687-A1 Fused Heterocyclic Compounds and Their Use as Mineralocorticoid Receptor Ligands TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-10-08 US disclosed
EP-1971596-A2 FUSED HETEROCYCLIC COMPOUNDS AND THEIR USE AS MINERALOCORTICOID RECEPTOR LIGANDS Takeda Pharmaceutical Company Limited (JP) 2008-09-24 EP disclosed
WO-2007077961-A2 FUSED HETEROCYCLIC COMPOUNDS AND THEIR USE AS MINERALOCORTICOID RECEPTOR LIGANDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-07-12 WO disclosed
WO-2007077961-A2 FUSED HETEROCYCLIC COMPOUNDS AND THEIR USE AS MINERALOCORTICOID RECEPTOR LIGANDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-07-12 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20090253687-A1 Fused Heterocyclic Compounds and Their Use as Mineralocorticoid Receptor Ligands NR3C2, NR3C1, MC2R NPC1 2803/4885RAB9A 3552/4885ALDH1A1 2708/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.